(1S)-1-[5-fluoro-2-(oxetan-3-ylsulfanyl)phenyl]ethanol

C11H13FO2S — CID 79332166

IUPAC(1S)-1-[5-fluoro-2-(oxetan-3-ylsulfanyl)phenyl]ethanol
SMILESC[C@H](O)c1cc(F)ccc1SC1COC1
InChIInChI=1S/C11H13FO2S/c1-7(13)10-4-8(12)2-3-11(10)15-9-5-14-6-9/h2-4,7,9,13H,5-6H2,1H3/t7-/m0/s1
InChIKeySRDJKHKUHFXYJA-ZETCQYMHSA-N
MW228.29 g/mol
LogP2.37
Rot. Bonds3

About (1S)-1-[5-fluoro-2-(oxetan-3-ylsulfanyl)phenyl]ethanol

(1S)-1-[5-fluoro-2-(oxetan-3-ylsulfanyl)phenyl]ethanol (PubChem CID 79332166) has the molecular formula C11H13FO2S and a molecular weight of 228.29 g/mol. Its IUPAC name is (1S)-1-[5-fluoro-2-(oxetan-3-ylsulfanyl)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-fluoro-2-(oxetan-3-ylsulfanyl)phenyl]ethanol
PubChem CID79332166
Molecular FormulaC11H13FO2S
Molecular Weight228.29 g/mol
Exact Mass228.06
IUPAC Name(1S)-1-[5-fluoro-2-(oxetan-3-ylsulfanyl)phenyl]ethanol
SMILESC[C@H](O)c1cc(F)ccc1SC1COC1
InChIInChI=1S/C11H13FO2S/c1-7(13)10-4-8(12)2-3-11(10)15-9-5-14-6-9/h2-4,7,9,13H,5-6H2,1H3/t7-/m0/s1
InChIKeySRDJKHKUHFXYJA-ZETCQYMHSA-N
XLogP2.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-fluoro-2-(oxetan-3-ylsulfanyl)phenyl]ethanol?
The IUPAC name of (1S)-1-[5-fluoro-2-(oxetan-3-ylsulfanyl)phenyl]ethanol (CID 79332166) is (1S)-1-[5-fluoro-2-(oxetan-3-ylsulfanyl)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[5-fluoro-2-(oxetan-3-ylsulfanyl)phenyl]ethanol?
The canonical SMILES for (1S)-1-[5-fluoro-2-(oxetan-3-ylsulfanyl)phenyl]ethanol is C[C@H](O)c1cc(F)ccc1SC1COC1.
What is the InChIKey of (1S)-1-[5-fluoro-2-(oxetan-3-ylsulfanyl)phenyl]ethanol?
The InChIKey is SRDJKHKUHFXYJA-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H13FO2S/c1-7(13)10-4-8(12)2-3-11(10)15-9-5-14-6-9/h2-4,7,9,13H,5-6H2,1H3/t7-/m0/s1.
What are the key properties of (1S)-1-[5-fluoro-2-(oxetan-3-ylsulfanyl)phenyl]ethanol?
(1S)-1-[5-fluoro-2-(oxetan-3-ylsulfanyl)phenyl]ethanol has a molecular weight of 228.29 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-fluoro-2-(oxetan-3-ylsulfanyl)phenyl]ethanol is sourced from PubChem (CID 79332166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).